input word = C00025683

Metabolite InformationStructural formula
Name Penduline
(+)-Penduline
Formula C37H40N2O6
Mw 608.28863702
CAS RN 26137-45-1
C_ID C00025683 ,
InChIKey DFOCUWZXJBAUSQ-IMDSDXEONA-N
InChICode InChI=1S/C37H40N2O6/c1-38-14-12-24-19-32(41-3)33-21-27(24)28(38)16-22-6-9-26(10-7-22)44-31-18-23(8-11-30(31)40)17-29-35-25(13-15-39(29)2)20-34(42-4)36(43-5)37(35)45-33/h6-11,18-21,28-29,40H,12-17H2,1-5H3/t28-,29-/m0/s1
SMILES COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@H](Cc1ccc(O)c(c1)Oc1ccc(cc1)C[C@@H]3N(C)CC2)N(C)CC4
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr L-Phe
Organism
Kingdom Family Species Reference
PlantaeAnnonaceaePolyalthia longifolia var.pendula Ref.
PlantaeMenispermaceaeCocculus leaebe Ref.
PlantaeMenispermaceaeCocculus pendulus (Forsk.) Diels Ref.
PlantaeMenispermaceaePachygone dasycarpa Kurz Ref.
PlantaeOrchidaceaeCymbidium pendulum Ref.
PlantaeRanunculaceaeAconitum pendulum Ref.
PlantaeRanunculaceaeAconitum pseudostapfinum W.T.Wang Ref.
PlantaeRanunculaceaeAconitum subcuneatum Nakai Ref.
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OrganismCocculus pendulus (Forsk.) Diels
ReferenceJain,Fitoterapia,62,(1991),391

Ikram,Planta Med.,45,(1982),253

Bhakuni,Tetrahedron,31,(1975),2575